SCHEMBL4283151

SCHEMBL4283151

O=C(O)N1CCN(C(=O)O)[C@H](CCn2cc(CO)nn2)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
DPP4 P27487 1/20 0.34
NOTUM Q6P988 4/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4283869 0.91 POLB (0.44) HRH4HRH3POLBKMT2A
SCHEMBL4284757 0.85 GPR88 (0.35) HRH4HRH3POLBL3MBTL1
SCHEMBL4294620 0.82 CYP19A1 (0.36) HRH4HRH3DPP4
SCHEMBL4295181 0.82 DPP4 (0.33) DPP4
SCHEMBL4292395 0.78 ALDH1A1 (0.47) POLBKMT2A
SCHEMBL4290450 0.78 POLB (0.40) HRH4HRH3DPP4NOTUMPOLB
Hydrochloric Acid SCHEMBL4291831 0.77 POLB (0.41) HRH4HRH3DPP4NOTUMPOLB
SCHEMBL4285493 0.75 LMNA (0.36) KMT2AL3MBTL1
SCHEMBL4284114 0.74 MCHR1 (0.35)
SCHEMBL4788402 0.71 CA1 (0.35)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HRH4 616/4885HRH3 1248/4885DPP4 113/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HRH4 616/4885HRH3 1248/4885DPP4 113/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.